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3-(DIMETHYLAMINO)-7,8,9,10-TETRAHYDRO-4,4-DIMETHYL-4H-1,2,5-BENZOTHIADIAZOCIN-6-(5H)-ON-1,1-DIOXIDE
SpectraBase Compound ID HEAU1oL88h6
InChI InChI=1S/C13H21N3O3S/c1-13(2)12(16(3)4)15-20(18,19)10-8-6-5-7-9(10)11(17)14-13/h5-8H2,1-4H3,(H,14,17)/b15-12+
InChIKey RPKVGISRHVDTLP-NTCAYCPXSA-N
Mol Weight 299.39 g/mol
Molecular Formula C13H21N3O3S
Exact Mass 299.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SoWouTz1He
Name 3-(DIMETHYLAMINO)-7,8,9,10-TETRAHYDRO-4,4-DIMETHYL-4H-1,2,5-BENZOTHIADIAZOCIN-6-(5H)-ON-1,1-DIOXIDE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H21N3O3S
InChI InChI=1S/C13H21N3O3S/c1-13(2)12(16(3)4)15-20(18,19)10-8-6-5-7-9(10)11(17)14-13/h5-8H2,1-4H3,(H,14,17)/b15-12+
InChIKey RPKVGISRHVDTLP-NTCAYCPXSA-N
Literature Reference Author A.RAHM,A.LINDEN,B.R.VINCENT,H.HEIMGARTNER,M.MUEHLSTAEDT,B.SC HULZE
Literature Reference Citation HELV.CHIM.ACTA,74,1002(1991)
Literature Reference DOI 10.1002/hlca.19910740511
Molecular Weight 299.388 g/mol
Solvent CDCl3
Source File Reference UWVP4504